Piezoelectric enhanced peroxidase-like activity of metal-free sulfur doped graphdiyne nanosheets for efficient water pollutant degradation and bacterial disinfection

Machine Learning Assisted Graphdiyne-Based Nanozyme Discovery

“…Graphdiyne (GDY) is a unique carbon allotrope composed of highly π-conjugated sp- and sp 2 -hybridized carbon atoms, with an infinitely extended two-dimensional (2D) planar structure. , By virtue of the high porosity and high specific surface area of hexagonal 18 carbon, GDY has a large capacity to adsorb small molecules such as H 2 O 2 , O 2 , and H 2 O. Meanwhile, polarized active sites created by the uneven charge distribution, together with abundant free-flowing π-electrons and high carrier mobility (10 4 –10 5 cm 2 V –1 s –1 ), endow GDY with intrinsic peroxidase (POD)-like activity. − More importantly, the electron configuration of GDY can be tuned by doping with nonmetal and metal atoms, enabling either extraction or enrichment of π-electrons to introduce more active centers for small molecule adsorption and decomposition, thus improving the nanozyme activity. However, for the GDY based nanozyme development, which are built on the same carbon scaffold and have very similar structures, the one-by-one synthesis and testing process is time-consuming, laborious, and has a high degree of randomness.…”

Single boron modulated graphdiyne nanosheets for efficient electrochemical nitrogen fixation: a first-principles study

“…59 In addition, a wide range of metal-free catalysts have been investigated and have found a number of applications. 60,61 For example, Zhang et al reported that an N-doped MoS 2 monolayer exhibits outstanding ORR catalytic performance with a small overpotential of 0.67 V. 62 Wang et al reported that graphdiyne with graph-C vacancies can efficiently reduce N 2 with a low limiting potential of −0.41 V via a hybrid pathway in the MvK path. 63 Zhao et al investigated that sp-hybridized B and N co-doped graphdiyne exhibits quite high-electrocatalytic activity for the conversion of CO 2 to CH 4 and C 2 H 4 with a low limiting potential of about −0.60 V. 64 Considering that heteroatoms could induce significant modification of chemical properties and electronic structures into nanomaterials, 65–67 we anticipated to enhance the electrocatalytic activity of the GDY nanosheet upon boron atom doping, making it potential electrocatalyst for N 2 fixation and ammonia synthesis.…”

Graphdiyne Oxide Quantum Dots: The Enhancement of Peroxidase-like Activity and Their Applications in Sensing H2O2 and Cysteine

“…For instance, hemin has been chosen as a functional molecule to improve peroxidase-like activity. − Nanoparticles are also a good choice, such as Pd, PdFe, CeO 2 , and CuS . It has been reported that heteroatoms (N, B, and S) can enhance the enzymatic activity. − Although great efforts have been made to improve the enzymatic activity and the application performance of GDY-based nanozymes, the understanding of their intrinsic properties or their enzyme-mimicking behavior is still limited.…”